原子スケール計算機実験による積層欠陥エネルギーの異なるナノ結晶体の粒界構造と力学特性の関係

概要

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Mechanical properties of nanocrystalline metals of which the grainsize is below about 100nm are affected by the relationship betweenthe intergranular and intragranular deformation. Intragranulardeformation in nanocrystalline metals could be caused by the movementof perfect dislocations or Shockley's partial dislocations, hencestacking fault energy is one of the important value to control theinternal structure. Moreover, the proportion of the grain boundaryregion dramatically increases with grain size decreasing, hence it isalso important to investigate the effects of individual grain boundarystructures and the distribution of grain boundary characteristics onthe macroscopic mechanical properties of polycrystalline materials. Inthis study, we investigate deformation mechanism and mechanicalproperties of nanocrystalline Al and Cu that show the differentstacking fault energy using molecular dynamics simulations, and wealso consider the effects of grain boundary misorientationdistributions on the mechanical properties of such materials.